SCHEMBL1406342

SCHEMBL1406342

CC(C)CNc1c(-c2ccc(C(C)(C)C)cc2)cc(C(O)C#Cc2ccc(C(=O)O)cc2)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.44
RARG P13631 4/20 0.44
RARA P10276 3/20 0.39
NR1H4 Q96RI1 5/20 0.38
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 1/20 0.37
GRIN2C Q14957 2/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
SRD5A2 P31213 1/20 0.34
EPHX2 P34913 1/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
FAAH O00519 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NR4A2 P43354 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1407006 0.93 RARG (0.35) RARBRARGRARARXRARXRB
SCHEMBL1406664 0.91 RARB (0.42) RARBRARGRARANR1H4RXRA
SCHEMBL1406741 0.88 RARB (0.42) RARBRARGRARANR1H4RXRA
SCHEMBL1406443 0.86 RAB9A (0.41) RARBRARGRARANR1H4RXRA
SCHEMBL6419796 0.86 RAB9A (0.37) RARBRARGGRIN2CFAAH
SCHEMBL6424179 0.86 NPC1 (0.33) RARBRARGRARANR1H4GRIN2C
SCHEMBL6419793 0.85 PTGES (0.32) RARBRARGNR1H4PTGESALOX5
SCHEMBL1406374 0.84 RARG (0.34) RARBRARGRARARXRARXRB
SCHEMBL1406661 0.82 RARB (0.44) RARBRARGRARANR1H4RXRA
SCHEMBL6424171 0.82 PTGES (0.34) RARBRARGNR1H4GRIN2CPTGES

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513793-B1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2011-03-09 EP claimed
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 US claimed
EP-1513793-B1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2011-03-09 EP disclosed
US-7468457-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-23 US disclosed
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG RARB 2/4885RARG 3/4885RARA 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.